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MAYBRIDGE-ZINC04709947

 MMsINC code: MMs02175340
Type: Neutral
Formula: C24H29N3O
SMILES:   Oc1ccccc1\C=N/c1ccc(-n2nc(cc2C(C)(C)C)C(C)(C)C)cc1
InChI:   InChI=1/C24H29N3O/c1-23(2,3)21-15-22(24(4,5)6)27(26-21)19-13-11-18(12-14-19)25-16-17-9-7-8-10-20(17)28/h7-16,28H,1-6H3/b25-16-

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Potential Energy
Epot(MMFF94)=160.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.516 g/mol  logS: -4.93898  SlogP: 5.9235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131933  Sterimol/B1: 2.49746  Sterimol/B2: 3.51736  Sterimol/B3: 5.68149
  Sterimol/B4: 8.11236  Sterimol/L: 14.5095 
 
 Surface and Volume Properties
  Accessible surface: 665.791  Positive charged surface: 448.202  Negative charged surface: 217.589  Volume: 392.5
  Hydrophobic surface: 491.557  Hydrophilic surface: 174.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.